5-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole

Formula:C11H11N3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 5-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole is a drug-like molecule.

MolName	5-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-1,2,4-triazole
MolecularFormula	C11H11N3S
Smiles	C(/C=C/c1ccccc1)Sc1ncn[nH]1
InChI	InChI=1S/C11H11N3S/c1-2-5-10(6-3-1)7-4-8-15-11-12-9-13-14-11/h1-7,9H,8H2,(H,12,13,14)
InChIK	LTULOTXFKDUUOC-UHFFFAOYSA-N
TotalMolweight	217.295
Molweight	217.295
MonoisotopicMass	217.067367
CLogP	2.4188
CLogS	-2.955
H Acceptors	3
H Donors	1
TotalSurfaceArea	177.86
Relative PSA	0.30035
PolarSurfaceArea	66.87
Druglikeness	2.0477
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73333
Fragments	1
Non HAtoms	15
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	3
StereoCon

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